ethane;1-methyl-4-[4-(4-methylcyclohexyl)oxycyclohexyl]benzene

C22H36O — CID 54304761

IUPACethane;1-methyl-4-[4-(4-methylcyclohexyl)oxycyclohexyl]benzene
SMILESCC.Cc1ccc(C2CCC(OC3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C20H30O.C2H6/c1-15-3-7-17(8-4-15)18-9-13-20(14-10-18)21-19-11-5-16(2)6-12-19;1-2/h3-4,7-8,16,18-20H,5-6,9-14H2,1-2H3;1-2H3
InChIKeySGSIHCANBPAMCE-UHFFFAOYSA-N
MW316.53 g/mol
LogP6.64
Rot. Bonds3

About ethane;1-methyl-4-[4-(4-methylcyclohexyl)oxycyclohexyl]benzene

ethane;1-methyl-4-[4-(4-methylcyclohexyl)oxycyclohexyl]benzene (PubChem CID 54304761) has the molecular formula C22H36O and a molecular weight of 316.53 g/mol. Its IUPAC name is ethane;1-methyl-4-[4-(4-methylcyclohexyl)oxycyclohexyl]benzene.

Molecular Properties

Compound Nameethane;1-methyl-4-[4-(4-methylcyclohexyl)oxycyclohexyl]benzene
PubChem CID54304761
Molecular FormulaC22H36O
Molecular Weight316.53 g/mol
Exact Mass316.28
IUPAC Nameethane;1-methyl-4-[4-(4-methylcyclohexyl)oxycyclohexyl]benzene
SMILESCC.Cc1ccc(C2CCC(OC3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C20H30O.C2H6/c1-15-3-7-17(8-4-15)18-9-13-20(14-10-18)21-19-11-5-16(2)6-12-19;1-2/h3-4,7-8,16,18-20H,5-6,9-14H2,1-2H3;1-2H3
InChIKeySGSIHCANBPAMCE-UHFFFAOYSA-N
XLogP6.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.53
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20580006
1-cyclopropyl-4-methylbenzene;ethane;methane
CID 164862835
bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)
CID 157498601
ethane;methane;1-methyl-4-[[4-[[4-(4-methylcyclohexyl)phenyl]methyl]phenyl]methyl]benzene
CID 158300950
1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 20579999
1-cyclopropyl-4-methylbenzene;methanol
CID 143290478
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
acetylene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 91246286
1-methoxy-4-[2-(4-methylphenyl)ethynyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;1-methyl-4-[2-(4-methylphenyl)ethynyl]benzene
CID 159401504
1-cyclohexyl-4-methylcyclohexane;methane;1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium
CID 158696039
tetrakis(1,4-dimethylcyclohexane);methane;1,4-xylene
CID 158719063
1-(4-methylcyclohexyl)-4-phenylbenzene
CID 18720904

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-[4-(4-methylcyclohexyl)oxycyclohexyl]benzene?
The IUPAC name of ethane;1-methyl-4-[4-(4-methylcyclohexyl)oxycyclohexyl]benzene (CID 54304761) is ethane;1-methyl-4-[4-(4-methylcyclohexyl)oxycyclohexyl]benzene.
What is the SMILES notation for ethane;1-methyl-4-[4-(4-methylcyclohexyl)oxycyclohexyl]benzene?
The canonical SMILES for ethane;1-methyl-4-[4-(4-methylcyclohexyl)oxycyclohexyl]benzene is CC.Cc1ccc(C2CCC(OC3CCC(C)CC3)CC2)cc1.
What is the InChIKey of ethane;1-methyl-4-[4-(4-methylcyclohexyl)oxycyclohexyl]benzene?
The InChIKey is SGSIHCANBPAMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O.C2H6/c1-15-3-7-17(8-4-15)18-9-13-20(14-10-18)21-19-11-5-16(2)6-12-19;1-2/h3-4,7-8,16,18-20H,5-6,9-14H2,1-2H3;1-2H3.
What are the key properties of ethane;1-methyl-4-[4-(4-methylcyclohexyl)oxycyclohexyl]benzene?
ethane;1-methyl-4-[4-(4-methylcyclohexyl)oxycyclohexyl]benzene has a molecular weight of 316.53 g/mol, XLogP of 6.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-[4-(4-methylcyclohexyl)oxycyclohexyl]benzene is sourced from PubChem (CID 54304761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).